N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-3-bromanyl-4-(3-methylbutoxy)benzamide

Systemtic Name: N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-3-bromanyl-4-(3-methylbutoxy)benzamide Openeye Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: N-[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-bromo-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-[[(4-benzamidobenzoyl)amino]thiocarbamoyl]-3-bromo-4-isoamoxy-benzamide Formula: C27H27BrN4O4S MolecularWeight: 583.49668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C27H27BrN4O4S/c1-17(2)14-15-36-23-13-10-20(16-22(23)28)25(34)30-27(37)32-31-26(35)19-8-11-21(12-9-19)29-24(33)18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,29,33)(H,31,35)(H2,30,32,34,37)